3-(1-ethyl-3-methylindol-6-yl)propan-1-amine

C14H20N2 — CID 117205048

IUPAC3-(1-ethyl-3-methylindol-6-yl)propan-1-amine
SMILESCCn1cc(C)c2ccc(CCCN)cc21
InChIInChI=1S/C14H20N2/c1-3-16-10-11(2)13-7-6-12(5-4-8-15)9-14(13)16/h6-7,9-10H,3-5,8,15H2,1-2H3
InChIKeyWWMAYZXPMXEMGM-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.86
Rot. Bonds4

About 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine

3-(1-ethyl-3-methylindol-6-yl)propan-1-amine (PubChem CID 117205048) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-3-methylindol-6-yl)propan-1-amine
PubChem CID117205048
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(1-ethyl-3-methylindol-6-yl)propan-1-amine
SMILESCCn1cc(C)c2ccc(CCCN)cc21
InChIInChI=1S/C14H20N2/c1-3-16-10-11(2)13-7-6-12(5-4-8-15)9-14(13)16/h6-7,9-10H,3-5,8,15H2,1-2H3
InChIKeyWWMAYZXPMXEMGM-UHFFFAOYSA-N
XLogP2.86
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-3-methylindol-5-yl)ethanamine
CID 117204739
2-(1-ethyl-3-methylindol-6-yl)acetaldehyde
CID 117204948
5-(1-ethylbenzimidazol-5-yl)pentan-1-amine
CID 98783919
5-chloro-1-ethyl-3-methylindole
CID 23383492
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
CID 83948412
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
2,2-dimethylpropanoyloxymethyl 6-(3-aminopropyl)-1-ethyl-4-oxoquinoline-3-carboxylate
CID 69449220
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
3-(2-methyl-1-propan-2-ylindol-6-yl)propan-1-amine
CID 117204891

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine?
The IUPAC name of 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine (CID 117205048) is 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine.
What is the SMILES notation for 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine?
The canonical SMILES for 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine is CCn1cc(C)c2ccc(CCCN)cc21.
What is the InChIKey of 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine?
The InChIKey is WWMAYZXPMXEMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-16-10-11(2)13-7-6-12(5-4-8-15)9-14(13)16/h6-7,9-10H,3-5,8,15H2,1-2H3.
What are the key properties of 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine?
3-(1-ethyl-3-methylindol-6-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylindol-6-yl)propan-1-amine is sourced from PubChem (CID 117205048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).